637003-10-2 ((6-Benzothiazolol, 2-[3-fluoro-4-(methylamino)phenyl]-)

快速询单

结构式：

6-Benzothiazolol, 2-[3-fluoro-4-(methylamino)phenyl]-MOL文件

CAS号：

637003-10-2

英文名称：

6-Benzothiazolol, 2-[3-fluoro-4-(methylamino)phenyl]-

分子式：

C₁₄H₁₁FN₂OS

分子量：

274.313345193863

6-Benzothiazolol, 2-[3-fluoro-4-(methylamino)phenyl]-(637003-10-2)名称与标识符

名称

英文别名：

6-Benzothiazolol, 2-[3-fluoro-4-(methylamino)phenyl]-;UNII-0F3M7032P5;SY131050;2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;SCHEMBL10032130;MFCD31648320;2-(3-fluoro-4-(methylamino)phenyl)benzo[d]thiazol-6-ol;Flutemetamol;2-(3-Fluoro-4-(methylamino)phenyl)-1,3-benzothiazol-6-ol;2-[3-fluoranyl-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;CHEMBL579205;BDBM50481120;DB15058;E86506;2-[3-Fluoro-4-(methylamino)phenyl]-6-hydroxybenzothiazole;637003-10-2;[3H]-Flutemetamol;Q27236700;2-[3-fluoro-4-(methylamino)phenyl]-6-Benzothiazolol;0F3M7032P5;NS00072061;

标识符

MDL：

MFCD31648320

InChIKey：

VVECGOCJFKTUAX-UHFFFAOYSA-N

Inchi：

1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3

SMILES：

S1C2C=C(C=CC=2N=C1C1C=CC(=C(C=1)F)NC)O

6-Benzothiazolol, 2-[3-fluoro-4-(methylamino)phenyl]-(637003-10-2)物化性质

实验特性

PSA : 45.15

计算特性

精确分子量 : 274.05773
氢键供体数量 : 2
氢键受体数量 : 5
可旋转化学键数量 : 2
同位素质量 : 274.05761231g/mol
重原子数量 : 19
复杂度 : 320
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.8
拓扑分子极性表面积 : 73.4Å²

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